5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione

C14H16N2O3 — CID 110191669

IUPAC5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1C(=O)CCc1ccccc1
InChIInChI=1S/C14H16N2O3/c1-14(2)12(18)15-13(19)16(14)11(17)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,18,19)
InChIKeyYPUMLXZYIMFZQW-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.48
Rot. Bonds3

About 5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione

5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione (PubChem CID 110191669) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione
PubChem CID110191669
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1C(=O)CCc1ccccc1
InChIInChI=1S/C14H16N2O3/c1-14(2)12(18)15-13(19)16(14)11(17)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,18,19)
InChIKeyYPUMLXZYIMFZQW-UHFFFAOYSA-N
XLogP1.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 11064736
lanthanum;3-phenylpropanoic acid
CID 174887955
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-3-phenylpropan-1-one
CID 110740632
(4S)-4-methyl-3-(3-phenylpropanoyl)-1,3-oxazolidine-2,5-dione
CID 59119731
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
2,2-dimethyl-1-(4-phenylbutanoyl)-3H-quinolin-4-one
CID 167644306
(5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one
CID 67737802
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-(5-methyl-1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 82244369
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845
2,2-dimethyl-1-(4-phenylbutanoyl)pyrrolidin-3-one
CID 115275193
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione (CID 110191669) is 5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione is CC1(C)C(=O)NC(=O)N1C(=O)CCc1ccccc1.
What is the InChIKey of 5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione?
The InChIKey is YPUMLXZYIMFZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(2)12(18)15-13(19)16(14)11(17)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,18,19).
What are the key properties of 5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione?
5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione has a molecular weight of 260.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(3-phenylpropanoyl)imidazolidine-2,4-dione is sourced from PubChem (CID 110191669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).